4-[[(3-nitrophenyl)sulfonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-nitrophenyl)sulfonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-nitrophenyl)sulfonylamino]methyl]benzoic acid CAS Name: 4-[[(3-nitrophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(3-nitrophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(3-nitrophenyl)sulfonylamino]methyl]benzoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c17-14(18)11-6-4-10(5-7-11)9-15-23(21,22)13-3-1-2-12(8-13)16(19)20/h1-8,15H,9H2,(H,17,18)